N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine

C16H22N6 — CID 162451729

IUPACN-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
SMILESCc1nn(C)cc1-c1cnc(NC2CC3CNCC3C2)cn1
InChIInChI=1S/C16H22N6/c1-10-14(9-22(2)21-10)15-7-19-16(8-18-15)20-13-3-11-5-17-6-12(11)4-13/h7-9,11-13,17H,3-6H2,1-2H3,(H,19,20)
InChIKeyZEIGQOVBIPMILM-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.60
Rot. Bonds3

About N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine

N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 162451729) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound NameN-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
PubChem CID162451729
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
SMILESCc1nn(C)cc1-c1cnc(NC2CC3CNCC3C2)cn1
InChIInChI=1S/C16H22N6/c1-10-14(9-22(2)21-10)15-7-19-16(8-18-15)20-13-3-11-5-17-6-12(11)4-13/h7-9,11-13,17H,3-6H2,1-2H3,(H,19,20)
InChIKeyZEIGQOVBIPMILM-UHFFFAOYSA-N
XLogP1.60
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine (CID 162451729) is N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine is Cc1nn(C)cc1-c1cnc(NC2CC3CNCC3C2)cn1.
What is the InChIKey of N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is ZEIGQOVBIPMILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-10-14(9-22(2)21-10)15-7-19-16(8-18-15)20-13-3-11-5-17-6-12(11)4-13/h7-9,11-13,17H,3-6H2,1-2H3,(H,19,20).
What are the key properties of N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 298.39 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 162451729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).